Materials id 3144 / HoNbO4 / C2/c (15)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: C2/c (15) / -C 2yc
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-3144-20180417.tar.lzma <./mp-3144-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-3144/ <https://www.materialsproject.org/materials/mp-3144/>`_

Phonon band structure
----------------------

.. image:: mp-3144-band.png

Phonon DOS
-----------

.. image:: mp-3144-dos.png

Thermal properties at constant volume
--------------------------------------

Imaginary modes are excluded if they exist.

.. image:: mp-3144-tprops.png

POSCAR.yaml
----------------

POSCAR.yaml shows the crystal structure after the relaxation used for this phonon calculation.

::

   lattice:
   - [     7.0081716700000003,     0.0000000000000000,     0.0083148600000000 ] # a
   - [     0.0000000000000000,    10.8766981400000002,     0.0000000000000000 ] # b
   - [    -3.3699280699999998,     0.0000000000000000,     3.7916983800000001 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.6621676200000000,  0.7127256199999999,  0.1608901500000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.3378323800000000,  0.7127256199999999,  0.3391098500000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.8378323800000000,  0.7872743800000001,  0.8391098500000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.1621676200000000,  0.7872743800000001,  0.6608901500000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.2489238600000000,  0.9692647100000000,  0.2119930800000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.7510761400000000,  0.9692647100000000,  0.2880069200000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.2510761400000000,  0.5307352900000000,  0.7880069200000001 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.7489238600000000,  0.5307352900000000,  0.7119930799999999 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.1621676200000000,  0.2127256200000000,  0.1608901500000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.8378323800000000,  0.2127256200000000,  0.3391098500000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.3378323800000000,  0.2872743800000000,  0.8391098500000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.6621676200000000,  0.2872743800000000,  0.6608901500000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.7489238600000000,  0.4692647100000000,  0.2119930800000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.2510761400000000,  0.4692647100000000,  0.2880069200000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.7510761400000000,  0.0307352900000000,  0.7880069200000001 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.2489238600000000,  0.0307352900000000,  0.7119930799999999 ]
     mass: 15.999400
   - symbol: Nb # 17
     coordinates: [  0.5000000000000000,  0.6063072100000000,  0.2500000000000000 ]
     mass: 92.906380
   - symbol: Nb # 18
     coordinates: [  0.0000000000000000,  0.8936927900000000,  0.7500000000000000 ]
     mass: 92.906380
   - symbol: Nb # 19
     coordinates: [  0.0000000000000000,  0.1063072100000000,  0.2500000000000000 ]
     mass: 92.906380
   - symbol: Nb # 20
     coordinates: [  0.5000000000000000,  0.3936927900000000,  0.7500000000000000 ]
     mass: 92.906380
   - symbol: Ho # 21
     coordinates: [  0.0000000000000000,  0.6289872399999999,  0.2500000000000000 ]
     mass: 164.930320
   - symbol: Ho # 22
     coordinates: [  0.5000000000000000,  0.8710127600000001,  0.7500000000000000 ]
     mass: 164.930320
   - symbol: Ho # 23
     coordinates: [  0.5000000000000000,  0.1289872400000000,  0.2500000000000000 ]
     mass: 164.930320
   - symbol: Ho # 24
     coordinates: [  0.0000000000000000,  0.3710127600000000,  0.7500000000000000 ]
     mass: 164.930320
   poscar_order:
   - 1
   - 2
   - 3
   - 4
   - 5
   - 6
   - 7
   - 8
   - 9
   - 10
   - 11
   - 12
   - 13
   - 14
   - 15
   - 16
   - 17
   - 18
   - 19
   - 20
   - 21
   - 22
   - 23
   - 24

Citation
-----------

.. _the Materials Project: https://www.materialsproject.org/
.. _the Materials Project citation: https://materialsproject.org/citing
.. _SeeK-path: http://materialscloud.org/tools/seekpath

..

The initial crystal structure used to perform phonon calculation is
obtained from `the Materials Project`_. The phonon band structure
paths are determined using `SeeK-path`_. More details about how to
obtain the crystal structure, how to determine the band structure
paths, and those citations are found at
:ref:`crystal_structure_and_citation`.

License
--------------

The contents of this web page are licensed under a `Creative Commons
4.0 Attribution International License
<http://creativecommons.org/licenses/by/4.0/>`_.

.. image :: https://i.creativecommons.org/l/by/4.0/88x31.png
   :target: http://creativecommons.org/licenses/by/4.0/
   :alt: license